N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide

C15H10F3N3O3S — CID 87130116

IUPACN-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12)C(F)(F)F
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)14(22)19-13-11-8-10(6-7-12(11)20-21-13)25(23,24)9-4-2-1-3-5-9/h1-8H,(H2,19,20,21,22)
InChIKeyRVTQVLZIWQCEJN-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.90
Rot. Bonds3

About N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide

N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 87130116) has the molecular formula C15H10F3N3O3S and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID87130116
Molecular FormulaC15H10F3N3O3S
Molecular Weight369.32 g/mol
Exact Mass369.04
IUPAC NameN-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12)C(F)(F)F
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)14(22)19-13-11-8-10(6-7-12(11)20-21-13)25(23,24)9-4-2-1-3-5-9/h1-8H,(H2,19,20,21,22)
InChIKeyRVTQVLZIWQCEJN-UHFFFAOYSA-N
XLogP2.90
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide (CID 87130116) is N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide is O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12)C(F)(F)F.
What is the InChIKey of N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RVTQVLZIWQCEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S/c16-15(17,18)14(22)19-13-11-8-10(6-7-12(11)20-21-13)25(23,24)9-4-2-1-3-5-9/h1-8H,(H2,19,20,21,22).
What are the key properties of N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 369.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)-1H-indazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87130116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).